C790-0563 Screening compound: 1,3-dimethyl 2-{[(4-methoxyphenyl)methyl]amino}-5-nitrobenzene-1,3-dicarboxylate

C790-0563 Screening compound: 1,3-dimethyl 2-{[(4-methoxyphenyl)methyl]amino}-5-nitrobenzene-1,3-dicarboxylate
C790-0563 Screening compound: 1,3-dimethyl 2-{[(4-methoxyphenyl)methyl]amino}-5-nitrobenzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0563
1,3-dimethyl 2-{[(4-methoxyphenyl)methyl]amino}-5-nitrobenzene-1,3-dicarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C790-0563

Molecular Formula

C18H18N2O7 (C18 H18 N2 O7)

Compound Name

1,3-dimethyl 2-{[(4-methoxyphenyl)methyl]amino}-5-nitrobenzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 2-{[(4-methoxyphenyl)methyl]amino}-5-nitrobenzene-13-dicarboxylate

SMILES

COC(c1cc([N+]([O-])=O)cc(C(OC)=O)c1NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C18H18N2O7/c1-25-13-6-4-11(5-7-13)10-19-16-14(17(21)26-2)8-12(20(23)24)9-15(16)18(22)27-3/h4-9,19H,10H2,1-3H3

InChI Key

VOGLVMHKQIDOFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-3.03

Polar Surface Area

92.350

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with C790-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0563?
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What is the minimum amount of C790-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0563
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C790-0563 available by request